4-[2-chloro-4-[3-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine;N-[1-(2-chloro-7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-N-methyl-1,3-thiazole-2-sulfonamide;4-[4-[3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine

C100H114Cl3N21O12S8 — CID 163680454

IUPAC4-[2-chloro-4-[3-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine;N-[1-(2-chloro-7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-N-methyl-1,3-thiazole-2-sulfonamide;4-[4-[3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine
SMILESCN(C1CCCN(c2nc(Cl)nc3cc(N4CCOCC4)ccc23)C1)S(=O)(=O)c1nccs1.Cc1nc(-c2ccccc2)sc1S(=O)(=O)CC1CCCN(c2nc(Cl)nc3cc(N4CCOCC4)ccc23)C1.Cc1nc(-c2ccccc2)sc1S(=O)(=O)CC1CCCN(c2ncnc3cc(N4CCOCC4)ccc23)C1.Cc1nc(C)c(S(=O)(=O)CC2CCCN(c3nc(Cl)nc4cc(N5CCOCC5)ccc34)C2)s1
InChIInChI=1S/C28H30ClN5O3S2.C28H31N5O3S2.C23H28ClN5O3S2.C21H25ClN6O3S2/c1-19-27(38-26(30-19)21-7-3-2-4-8-21)39(35,36)18-20-6-5-11-34(17-20)25-23-10-9-22(33-12-14-37-15-13-33)16-24(23)31-28(29)32-25;1-20-28(37-27(31-20)22-7-3-2-4-8-22)38(34,35)18-21-6-5-11-33(17-21)26-24-10-9-23(16-25(24)29-19-30-26)32-12-14-36-15-13-32;1-15-22(33-16(2)25-15)34(30,31)14-17-4-3-7-29(13-17)21-19-6-5-18(28-8-10-32-11-9-28)12-20(19)26-23(24)27-21;1-26(33(29,30)21-23-6-12-32-21)16-3-2-7-28(14-16)19-17-5-4-15(27-8-10-31-11-9-27)13-18(17)24-20(22)25-19/h2-4,7-10,16,20H,5-6,11-15,17-18H2,1H3;2-4,7-10,16,19,21H,5-6,11-15,17-18H2,1H3;5-6,12,17H,3-4,7-11,13-14H2,1-2H3;4-6,12-13,16H,2-3,7-11,14H2,1H3
InChIKeyJKJOCLKVOFXHET-UHFFFAOYSA-N
MW2165.04 g/mol
LogP16.58
Rot. Bonds22

About 4-[2-chloro-4-[3-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine;N-[1-(2-chloro-7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-N-methyl-1,3-thiazole-2-sulfonamide;4-[4-[3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine

4-[2-chloro-4-[3-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine;N-[1-(2-chloro-7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-N-methyl-1,3-thiazole-2-sulfonamide;4-[4-[3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine (PubChem CID 163680454) has the molecular formula C100H114Cl3N21O12S8 and a molecular weight of 2165.04 g/mol. Its IUPAC name is 4-[2-chloro-4-[3-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine;N-[1-(2-chloro-7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-N-methyl-1,3-thiazole-2-sulfonamide;4-[4-[3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine.

Molecular Properties

Compound Name4-[2-chloro-4-[3-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine;N-[1-(2-chloro-7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-N-methyl-1,3-thiazole-2-sulfonamide;4-[4-[3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine
PubChem CID163680454
Molecular FormulaC100H114Cl3N21O12S8
Molecular Weight2165.04 g/mol
Exact Mass2161.58
IUPAC Name4-[2-chloro-4-[3-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine;N-[1-(2-chloro-7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-N-methyl-1,3-thiazole-2-sulfonamide;4-[4-[3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine
SMILESCN(C1CCCN(c2nc(Cl)nc3cc(N4CCOCC4)ccc23)C1)S(=O)(=O)c1nccs1.Cc1nc(-c2ccccc2)sc1S(=O)(=O)CC1CCCN(c2nc(Cl)nc3cc(N4CCOCC4)ccc23)C1.Cc1nc(-c2ccccc2)sc1S(=O)(=O)CC1CCCN(c2ncnc3cc(N4CCOCC4)ccc23)C1.Cc1nc(C)c(S(=O)(=O)CC2CCCN(c3nc(Cl)nc4cc(N5CCOCC5)ccc34)C2)s1
InChIInChI=1S/C28H30ClN5O3S2.C28H31N5O3S2.C23H28ClN5O3S2.C21H25ClN6O3S2/c1-19-27(38-26(30-19)21-7-3-2-4-8-21)39(35,36)18-20-6-5-11-34(17-20)25-23-10-9-22(33-12-14-37-15-13-33)16-24(23)31-28(29)32-25;1-20-28(37-27(31-20)22-7-3-2-4-8-22)38(34,35)18-21-6-5-11-33(17-21)26-24-10-9-23(16-25(24)29-19-30-26)32-12-14-36-15-13-32;1-15-22(33-16(2)25-15)34(30,31)14-17-4-3-7-29(13-17)21-19-6-5-18(28-8-10-32-11-9-28)12-20(19)26-23(24)27-21;1-26(33(29,30)21-23-6-12-32-21)16-3-2-7-28(14-16)19-17-5-4-15(27-8-10-31-11-9-27)13-18(17)24-20(22)25-19/h2-4,7-10,16,20H,5-6,11-15,17-18H2,1H3;2-4,7-10,16,19,21H,5-6,11-15,17-18H2,1H3;5-6,12,17H,3-4,7-11,13-14H2,1-2H3;4-6,12-13,16H,2-3,7-11,14H2,1H3
InChIKeyJKJOCLKVOFXHET-UHFFFAOYSA-N
XLogP16.58
TPSA357.32 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds22
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002165.04
LogP ≤ 516.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Analyze 4-[2-chloro-4-[3-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine;N-[1-(2-chloro-7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-N-methyl-1,3-thiazole-2-sulfonamide;4-[4-[3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-4-[3-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine;N-[1-(2-chloro-7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-N-methyl-1,3-thiazole-2-sulfonamide;4-[4-[3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine?
The IUPAC name of 4-[2-chloro-4-[3-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine;N-[1-(2-chloro-7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-N-methyl-1,3-thiazole-2-sulfonamide;4-[4-[3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine (CID 163680454) is 4-[2-chloro-4-[3-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine;N-[1-(2-chloro-7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-N-methyl-1,3-thiazole-2-sulfonamide;4-[4-[3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine.
What is the SMILES notation for 4-[2-chloro-4-[3-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine;N-[1-(2-chloro-7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-N-methyl-1,3-thiazole-2-sulfonamide;4-[4-[3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine?
The canonical SMILES for 4-[2-chloro-4-[3-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine;N-[1-(2-chloro-7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-N-methyl-1,3-thiazole-2-sulfonamide;4-[4-[3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine is CN(C1CCCN(c2nc(Cl)nc3cc(N4CCOCC4)ccc23)C1)S(=O)(=O)c1nccs1.Cc1nc(-c2ccccc2)sc1S(=O)(=O)CC1CCCN(c2nc(Cl)nc3cc(N4CCOCC4)ccc23)C1.Cc1nc(-c2ccccc2)sc1S(=O)(=O)CC1CCCN(c2ncnc3cc(N4CCOCC4)ccc23)C1.Cc1nc(C)c(S(=O)(=O)CC2CCCN(c3nc(Cl)nc4cc(N5CCOCC5)ccc34)C2)s1.
What is the InChIKey of 4-[2-chloro-4-[3-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine;N-[1-(2-chloro-7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-N-methyl-1,3-thiazole-2-sulfonamide;4-[4-[3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine?
The InChIKey is JKJOCLKVOFXHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClN5O3S2.C28H31N5O3S2.C23H28ClN5O3S2.C21H25ClN6O3S2/c1-19-27(38-26(30-19)21-7-3-2-4-8-21)39(35,36)18-20-6-5-11-34(17-20)25-23-10-9-22(33-12-14-37-15-13-33)16-24(23)31-28(29)32-25;1-20-28(37-27(31-20)22-7-3-2-4-8-22)38(34,35)18-21-6-5-11-33(17-21)26-24-10-9-23(16-25(24)29-19-30-26)32-12-14-36-15-13-32;1-15-22(33-16(2)25-15)34(30,31)14-17-4-3-7-29(13-17)21-19-6-5-18(28-8-10-32-11-9-28)12-20(19)26-23(24)27-21;1-26(33(29,30)21-23-6-12-32-21)16-3-2-7-28(14-16)19-17-5-4-15(27-8-10-31-11-9-27)13-18(17)24-20(22)25-19/h2-4,7-10,16,20H,5-6,11-15,17-18H2,1H3;2-4,7-10,16,19,21H,5-6,11-15,17-18H2,1H3;5-6,12,17H,3-4,7-11,13-14H2,1-2H3;4-6,12-13,16H,2-3,7-11,14H2,1H3.
What are the key properties of 4-[2-chloro-4-[3-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine;N-[1-(2-chloro-7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-N-methyl-1,3-thiazole-2-sulfonamide;4-[4-[3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine?
4-[2-chloro-4-[3-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine;N-[1-(2-chloro-7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-N-methyl-1,3-thiazole-2-sulfonamide;4-[4-[3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine has a molecular weight of 2165.04 g/mol, XLogP of 16.58, 22 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-4-[3-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine;N-[1-(2-chloro-7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-N-methyl-1,3-thiazole-2-sulfonamide;4-[4-[3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine is sourced from PubChem (CID 163680454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).